methyl 4-methyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[4-(m-tolyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[4-(3-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[4-(m-tolyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C22H27N3O3/c1-16-5-4-6-19(13-16)25-11-9-24(10-12-25)15-21(26)23-20-14-18(22(27)28-3)8-7-17(20)2/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,26)